2VP4

structural studies of nucleoside analog and feedback inhibitor binding to drosophila melanogaster multisubstrate deoxyribonucleoside kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 127
  • Norm. En. per Res.: -3.7675
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-34.7542	-35.2531	-408.46	-478.4673	127	7	7	16343	2	26	22
A-C	0.0	-3.9203	-87.0623	-90.9826	54	5	0	3743	3	31	33
A-D	0.0	0.0	-5.1761	-5.1761	10	3	0	199	0	3	5
B-C	0.0	0.0	-5.4583	-5.4583	8	0	0	185	0	0	0
B-D	-14.3658	-19.471	-100.836	-134.6728	53	9	0	3940	3	32	33
C-D	-26.4715	-32.4703	-411.807	-470.7488	125	5	7	16366	2	26	22

Interface residues

• A-B: ALA15A, ALA15B, ALA77A, ALA77B, ALA94A, ALA94B, ASN130A, ASN130B, ASN59A, ASN59B, ASN61A, ASN61B, ASN64A, ASN64B, ASP72A, ASP72B, GLN126A, GLN126B, GLN81A, GLN81B, GLN90A, GLN90B, GLU125A, GLU125B, GLU133A, GLU133B, GLU134A, GLU134B, GLU140A, GLU140B, GLU141A, GLU141B, GLU16A, GLU16B, GLY122A, GLY122B, GLY127A, GLY127B, GLY62A, GLY62B, HIS144A, HIS144B, HIS92A, HIS92B, ILE107A, ILE107B, ILE139A, ILE139B, ILE143A, ILE143B, LEU124A, LEU124B, LEU132A, LEU132B, LEU65A, LEU65B, LEU68A, LEU68B, LEU86A, LEU86B, LEU89A, LEU89B, LYS137A, LYS137B, LYS13A, LYS13B, LYS56A, LYS74A, LYS74B, LYS75A, LYS75B, MET128A, MET128B, MET78A, MET78B, MET88A, MET88B, PHE138A, PHE138B, PHE80A, PHE80B, PRO73A, PRO73B, PRO79A, PRO79B, PRO95A, PRO95B, SER123A, SER123B, SER142A, SER142B, SER82A, SER82B, SER91A, SER91B, THR12A, THR12B, THR131A, THR131B, THR18A, THR18B, THR85A, THR85B, THR87A, THR87B, THR93A, THR93B, TRP135A, TRP135B, TRP76A, TRP76B, TYR129A, TYR129B, TYR136A, TYR136B, TYR14A, TYR14B, TYR83A, TYR83B, VAL145A, VAL145B, VAL60A, VAL60B, VAL63A, VAL63B, VAL84A, VAL84B
• A-C: ARG119A, ARG120A, ARG195A, ARG196A, ARG58C, ASN130A, ASN38C, ASN45C, ASN59C, ASN61C, ASN64C, ASP189A, CYS200A, GLN126A, GLN194A, GLN198A, GLU104C, GLU116A, GLU133A, GLU134A, GLU188A, GLU41C, GLU52C, GLU55C, GLY127A, GLY62C, HIS193A, ILE192A, LEU186A, LEU191A, LEU37C, LEU49C, LEU50C, LYS137A, LYS201A, LYS33C, LYS42C, LYS44C, LYS56C, LYS98C, PHE40C, PRO197A, PRO53C, SER199A, THR34C, THR35C, THR51C, TRP190A, TYR129A, TYR43C, VAL115A, VAL54C, VAL60C, VAL63C
• A-D: ASN130A, ASN130D, GLN126A, GLN126D, GLU134A, GLU134D, GLY127A, GLY127D, LYS137A, LYS137D
• B-C: ASN61B, ASN61C, GLY62B, GLY62C, VAL60B, VAL60C, VAL63B, VAL63C
• B-D: ARG119D, ARG120D, ARG195D, ARG196D, ARG58B, ASN130D, ASN38B, ASN45B, ASN59B, ASN61B, ASN64B, ASP189D, CYS200D, GLN126D, GLN194D, GLN198D, GLU104B, GLU116D, GLU125D, GLU133D, GLU134D, GLU188D, GLU41B, GLU52B, GLU55B, GLY62B, HIS193D, HIS39B, ILE192D, LEU186D, LEU191D, LEU37B, LEU49B, LEU50B, LYS137D, LYS201D, LYS33B, LYS42B, LYS44B, LYS56B, LYS98B, PHE40B, PRO197D, PRO53B, SER199D, THR34B, THR35B, THR51B, TYR129D, TYR43B, VAL54B, VAL60B, VAL63B
• C-D: ALA15C, ALA15D, ALA77C, ALA77D, ALA94C, ALA94D, ASN130C, ASN130D, ASN59D, ASN61C, ASN61D, ASN64C, ASN64D, ASP72C, ASP72D, GLN126C, GLN126D, GLN81C, GLN81D, GLN90C, GLN90D, GLU125C, GLU125D, GLU133C, GLU133D, GLU134C, GLU134D, GLU140C, GLU140D, GLU141C, GLU141D, GLU16C, GLU16D, GLY122C, GLY122D, GLY127C, GLY127D, GLY62C, GLY62D, HIS144C, HIS144D, HIS92C, HIS92D, ILE107C, ILE107D, ILE139C, ILE139D, ILE143C, ILE143D, LEU124C, LEU124D, LEU132C, LEU132D, LEU65C, LEU65D, LEU68C, LEU68D, LEU86C, LEU86D, LEU89C, LEU89D, LYS137C, LYS137D, LYS13C, LYS13D, LYS56D, LYS74C, LYS74D, LYS75C, LYS75D, MET128C, MET128D, MET78C, MET78D, MET88C, MET88D, PHE138C, PHE138D, PHE80C, PHE80D, PRO73C, PRO73D, PRO79C, PRO79D, PRO95D, SER123C, SER123D, SER142C, SER142D, SER82C, SER82D, SER91C, SER91D, THR12C, THR12D, THR131C, THR131D, THR18C, THR18D, THR85C, THR85D, THR87C, THR87D, THR93C, THR93D, TRP135C, TRP135D, TRP76C, TRP76D, TYR129C, TYR129D, TYR136C, TYR136D, TYR14C, TYR14D, TYR83C, TYR83D, VAL145C, VAL145D, VAL60C, VAL60D, VAL63C, VAL63D, VAL84C, VAL84D